AB00111418-01
TL;DR: AB00111418-01 (CAS 349441-39-0) is a chemical compound with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Also Known As: AB00111418-01, AJ-292/40797218, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-(6-methylbenzothiazol-2-yl)phenyl]acetamide
| Molecular Formula | C23H20N6O3S |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 2.65752 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.13177 |
| Heavy Atoms | 33 |
| Complexity | 1656.4092 |
Chemical Identifiers
| CAS Number | 349441-39-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C |
Product Overview
AB00111418-01 (CAS 349441-39-0), with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
Chemical Property Profile of AB00111418-01
Property Insights of AB00111418-01
The XLogP value of 2.65752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00111418-01. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111418-01. Following Lipinski's Rule of Five, AB00111418-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00111418-01?
The CAS number of AB00111418-01 is 349441-39-0.
What is the molecular formula of AB00111418-01?
The molecular formula of AB00111418-01 is C23H20N6O3S.
What is the molecular weight of AB00111418-01?
The molecular weight of AB00111418-01 is 460.13 g/mol.
Where can I buy AB00111418-01?
You can request a quote for AB00111418-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111418-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111418-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.